Exact Mass: 624.4080414
Exact Mass Matches: 624.4080414
Found 251 metabolites which its exact mass value is equals to given mass value 624.4080414,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
P 518
PG(a-13:0/i-12:0)
C31H61O10P (624.4002135999999)
PG(a-13:0/i-12:0) is a phosphatidylglycerol - a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PG(a-13:0/i-12:0), in particular, consists of one chain of anteisotridecanoic acid at the C-1 position and one chain of isododecanoic acid at the C-2 position. Phosphatidylglycerol is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant (up to 11\\% of the total). It is well established that the concentration of phosphatidylglycerol increases during fetal development. Phosphatidylglycerol may be present in animal tissues merely as a precursor for cardiolipin synthesis.
PG(i-12:0/a-13:0)
C31H61O10P (624.4002135999999)
PG(i-12:0/a-13:0) is a phosphatidylglycerol - a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PG(i-12:0/a-13:0), in particular, consists of one chain of isododecanoic acid at the C-1 position and one chain of anteisotridecanoic acid at the C-2 position. Phosphatidylglycerol is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant (up to 11\\% of the total). It is well established that the concentration of phosphatidylglycerol increases during fetal development. Phosphatidylglycerol may be present in animal tissues merely as a precursor for cardiolipin synthesis.
PG(i-12:0/i-13:0)
C31H61O10P (624.4002135999999)
PG(i-12:0/i-13:0) is a phosphatidylglycerol - a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PG(i-12:0/i-13:0), in particular, consists of one chain of isododecanoic acid at the C-1 position and one chain of isotridecanoic acid at the C-2 position. Phosphatidylglycerol is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant (up to 11\\% of the total). It is well established that the concentration of phosphatidylglycerol increases during fetal development. Phosphatidylglycerol may be present in animal tissues merely as a precursor for cardiolipin synthesis.
PG(i-13:0/i-12:0)
C31H61O10P (624.4002135999999)
PG(i-13:0/i-12:0) is a phosphatidylglycerol - a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PG(i-13:0/i-12:0), in particular, consists of one chain of isotridecanoic acid at the C-1 position and one chain of isododecanoic acid at the C-2 position. Phosphatidylglycerol is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant (up to 11\\% of the total). It is well established that the concentration of phosphatidylglycerol increases during fetal development. Phosphatidylglycerol may be present in animal tissues merely as a precursor for cardiolipin synthesis.
23-O-beta-D-Glucopyranosyl-25-methyldolichosterone
teikagenin-3-O-beta-D-digitalosyl-20-O-beta-D-canaroside|teikaside A-Ia
3-O-beta-D-(2,3-di-O-methyl-beta-xylopyranosyl)-22E-27-nor-24-methyl-5alpha-cholesta-4,22-diene-3beta,6beta,8,15alpha,16beta,26-hexaol|leviusculoside J
(25S)-3beta,27-dihydroxy-5alpha-spirostan-6alpha-yl-O-beta-D-glucopyranoside
3-(3,4-Dihydroxybenzoyl)-2,3,27-Thrihydroxy-12-lupen-28-oic acid
calogenin 3-O-beta-D-digitalopyranoside-20-O-beta-D-canaropyranoside
PG(12:0/13:0)
C31H61O10P (624.4002135999999)
PG(13:0/12:0)
C31H61O10P (624.4002135999999)
PG 25:0
C31H61O10P (624.4002135999999)
Mantuoluoside A
Mantuoluoside B
Linkckoside F
1-(D-Mannosyloxy)-3,4-didenhydro-1,2-dihydro-8-apolycopen-8-oic acid
Methyl mannosyl-3,4-dehydro-apo-8-lycopenoate
Methyl glucosyl-3,4-dehydro-apo-8-lycopenoate
Tirilazad
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents > D000975 - Antioxidants N - Nervous system
Chol-6-en-24-oic acid, 3,7-bis[(trimethylsilyl)oxy]-, phenylmethyl ester, (3α,5β)-
C37H60O4Si2 (624.4029919999999)
Testosterone enantate benzilic acid hydrazone
C40H52N2O4 (624.3926872000001)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
N-[(3R,9S,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C35H52N4O6 (624.3886652000001)
N-[(3R,9R,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C35H52N4O6 (624.3886652000001)
N-[[(3R,9R,10R)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
C35H52N4O6 (624.3886652000001)
N-[(3R,9R,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C35H52N4O6 (624.3886652000001)
N-[(3R,9S,10R)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C35H52N4O6 (624.3886652000001)
N-[(3S,9R,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C35H52N4O6 (624.3886652000001)
N-[[(3R,9R,10S)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
C35H52N4O6 (624.3886652000001)
N-[[(3R,9R,10R)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
C35H52N4O6 (624.3886652000001)
N-[[(3S,9S,10R)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
C35H52N4O6 (624.3886652000001)
N-[[(3S,9S,10S)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
C35H52N4O6 (624.3886652000001)
N-[(3S,9R,10R)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C35H52N4O6 (624.3886652000001)
N-[[(3S,9S,10S)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
C35H52N4O6 (624.3886652000001)
N-[(3S,9S,10R)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C35H52N4O6 (624.3886652000001)
N-[[(3R,9S,10R)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
C35H52N4O6 (624.3886652000001)
N-[(3R,9S,10R)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C35H52N4O6 (624.3886652000001)
N-[(3S,9S,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C35H52N4O6 (624.3886652000001)
N-[(3S,9S,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C35H52N4O6 (624.3886652000001)
N-[(3S,9S,10R)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C35H52N4O6 (624.3886652000001)
N-[(3S,9R,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C35H52N4O6 (624.3886652000001)
N-[[(3R,9S,10S)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
C35H52N4O6 (624.3886652000001)
N-[(3R,9R,10R)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C35H52N4O6 (624.3886652000001)
N-[(3R,9S,10S)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C35H52N4O6 (624.3886652000001)
N-[(3R,9R,10R)-9-[[[4-(dimethylamino)-1-oxobutyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
C35H52N4O6 (624.3886652000001)
2-[[(2R)-3-hexadecanoyloxy-2-(7-hydroxyheptanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] hexacosanoate
[(E)-3-hydroxy-2-[[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]amino]non-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C34H61N2O6P (624.4267015999999)
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-undecoxypropan-2-yl] pentadecanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-tridecoxypropan-2-yl] tridecanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-tetradecoxypropan-2-yl] dodecanoate
[1-Decoxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] hexadecanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentadecoxypropan-2-yl] undecanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-dodecoxypropan-2-yl] tetradecanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] decanoate
[(E)-3-hydroxy-2-[[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]amino]undec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C34H61N2O6P (624.4267015999999)
[(E)-2-[[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]amino]-3-hydroxytridec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C34H61N2O6P (624.4267015999999)
[3-hydroxy-2-[[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]amino]undecyl] 2-(trimethylazaniumyl)ethyl phosphate
C34H61N2O6P (624.4267015999999)
[(4E,8E)-2-[[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]amino]-3-hydroxytrideca-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
C34H61N2O6P (624.4267015999999)
[1-nonanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
[1-propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate
[1-pentanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
[1-heptanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
[3-hydroxy-2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]nonyl] 2-(trimethylazaniumyl)ethyl phosphate
C34H61N2O6P (624.4267015999999)
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] docosanoate
C31H61O10P (624.4002135999999)
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] icosanoate
C31H61O10P (624.4002135999999)
[1-[(2-Acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] tricosanoate
C31H61O10P (624.4002135999999)
[1-[(2-Hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] nonadecanoate
C31H61O10P (624.4002135999999)
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-nonanoyloxypropoxy)phosphoryl]oxypropan-2-yl] hexadecanoate
C31H61O10P (624.4002135999999)
[1-[(2-Butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] henicosanoate
C31H61O10P (624.4002135999999)
[1-[(2-Heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] octadecanoate
C31H61O10P (624.4002135999999)
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-octanoyloxypropoxy)phosphoryl]oxypropan-2-yl] heptadecanoate
C31H61O10P (624.4002135999999)
[1-[(2-Dodecanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] tridecanoate
C31H61O10P (624.4002135999999)
[1-[(2-Decanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] pentadecanoate
C31H61O10P (624.4002135999999)
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-undecanoyloxypropoxy)phosphoryl]oxypropan-2-yl] tetradecanoate
C31H61O10P (624.4002135999999)
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] hexadecanoate
C31H61O10P (624.4002135999999)
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] heptadecanoate
C31H61O10P (624.4002135999999)
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] icosanoate
C31H61O10P (624.4002135999999)
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] docosanoate
C31H61O10P (624.4002135999999)
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] nonadecanoate
C31H61O10P (624.4002135999999)
[1-Butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] henicosanoate
C31H61O10P (624.4002135999999)
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] tricosanoate
C31H61O10P (624.4002135999999)
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] octadecanoate
C31H61O10P (624.4002135999999)
(1-nonanoyloxy-3-phosphonooxypropan-2-yl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-dodecanoyloxypropan-2-yl] tridecanoate
C31H61O10P (624.4002135999999)
[1-Decanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] pentadecanoate
C31H61O10P (624.4002135999999)
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-undecanoyloxypropan-2-yl] tetradecanoate
C31H61O10P (624.4002135999999)
[1-[(Z)-pentadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
(1-phosphonooxy-3-undecanoyloxypropan-2-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
[1-phosphonooxy-3-[(Z)-tridec-9-enoyl]oxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
(1-phosphonooxy-3-tridecanoyloxypropan-2-yl) (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-dodecanoyloxypropan-2-yl] tridecanoate
C31H61O10P (624.4002135999999)
[(2R)-1-decanoyloxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] pentadecanoate
C31H61O10P (624.4002135999999)
2,3-bis[[(3Z,6Z,9Z)-dodeca-3,6,9-trienoyl]oxy]propyl (Z)-dodec-5-enoate
[2-[(6Z,9Z)-dodeca-6,9-dienoyl]oxy-3-[(3Z,6Z,9Z)-dodeca-3,6,9-trienoyl]oxypropyl] (6Z,9Z)-dodeca-6,9-dienoate
[1-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxy-3-phosphonooxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate
[(2R)-1-phosphonooxy-3-undecanoyloxypropan-2-yl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate
[(2R)-3-phosphonooxy-2-undecanoyloxypropyl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate
(1-pentadecanoyloxy-3-phosphonooxypropan-2-yl) (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[1-[(9E,12E)-pentadeca-9,12-dienoyl]oxy-3-phosphonooxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-undecanoyloxypropyl] tetradecanoate
C31H61O10P (624.4002135999999)
[(2S)-2-decanoyloxy-3-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropyl] pentadecanoate
C31H61O10P (624.4002135999999)
[1-[(E)-pentadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-undecanoyloxypropan-2-yl] tetradecanoate
C31H61O10P (624.4002135999999)
2-[[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[2-butanoyloxy-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[carboxy-[2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-3-nonanoyloxypropoxy]methoxy]ethyl-trimethylazanium
2-[[3-[(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-8,11,14,17,20,23-hexaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[2-acetyloxy-3-[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
TG(36:7)
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2-{[15-(5,6-dihydroxy-6-methylheptan-2-yl)-9,14-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}oxane-3,4,5-triol
methyl (2e,4e,6e,8e,10e,12e,14e,16e,18e,20e)-2,6,11,15,19,23-hexamethyl-23-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracosa-2,4,6,8,10,12,14,16,18,20-decaenoate
5-methyl-n-[(2r)-1-oxo-1-{[(5r,13s,14r,15r)-3,15,22-trihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl]oxy}propan-2-yl]hexanimidic acid
C36H52N2O7 (624.3774321999999)
(2s,3r,4s,5r)-2-{[(1s,3r,6s,8r,9s,11s,12s,14s,15r,16r)-15-[(2r,5s)-5,6-dihydroxy-6-methylheptan-2-yl]-6,14-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-9-yl]oxy}oxane-3,4,5-triol
(1r,2r,3r,3as,3bs,5r,7s,9ar,9br,11ar)-7-{[(2s,3r,4s,5r)-5-hydroxy-3,4-dimethoxyoxan-2-yl]oxy}-1-[(2r,3e)-7-hydroxy-5-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,3,3b,5-tetrol
4,17(20)-(cis)-pregnadiene-3,16-dione
{"Ingredient_id": "HBIN009836","Ingredient_name": "4,17(20)-(cis)-pregnadiene-3,16-dione","Alias": "4,17(20)-(trans)-pregnadiene-3,16-dione","Ingredient_formula": "C42H56O4","Ingredient_Smile": "CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C.CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C","Ingredient_weight": "624.9 g/mol","OB_score": "51.41738673","CAS_id": "NA","SymMap_id": "SMIT03473","TCMID_id": "NA","TCMSP_id": "MOL000988","TCM_ID_id": "NA","PubChem_id": "139064727","DrugBank_id": "NA"}
6,9,15,18,23,27,32-heptamethyl-30-(prop-1-en-2-yl)-2,25-dioxaoctacyclo[24.5.3.0¹,²⁶.0³,²⁴.0⁵,²².0⁶,¹⁹.0⁹,¹⁸.0¹⁰,¹⁵]tetratriaconta-3,5(22),23,32-tetraene-13,21-dione
(2r,3ar,6s,8r,9ar,10as)-7'-(3,3-dimethyloxirane-2-carbonyl)-2',10a-dihydroxy-1,1,6-trimethyl-3a-(methylamino)-3,4,6,7,8,9,9a,10-octahydrospiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl (2s)-2-(dimethylamino)-3-methylbutanoate
C35H52N4O6 (624.3886652000001)
7-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-1-(7-hydroxy-6-methyl-5-methylideneheptan-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,3,3b,5-tetrol
(2r,3r,4s,5s,6r)-2-{[(1r,3as,3br,5ar,7s,9as,9bs,11as)-1-[(1s)-1-{[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}ethyl]-1-hydroxy-9a,11a-dimethyl-2h,3h,3ah,3bh,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-methoxy-6-methyloxane-3,5-diol
2-(4-{14,16-dihydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
7-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-1-(7-hydroxy-5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,3,3b,5-tetrol
2-[(1-{1-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]ethyl}-3a-hydroxy-9a,11a-dimethyl-1h,2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl)oxy]-4-methoxy-6-methyloxane-3,5-diol
7-[(5-hydroxy-3,4-dimethoxyoxan-2-yl)oxy]-1-(7-hydroxy-5-methylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,3,3b,5-tetrol
methyl 2,6,11,15,19,23-hexamethyl-23-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracosa-2,4,6,8,10,12,14,16,18,20-decaenoate
(2r,3r,4s,5s,6r)-2-{[(1s,3as,3br,7s,9ar,9bs,11ar)-1-[(1s)-1-{[(2r,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}ethyl]-3a-hydroxy-9a,11a-dimethyl-1h,2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-methoxy-6-methyloxane-3,5-diol
(1r,2r,3r,3as,3bs,5r,7s,9ar,9br,11ar)-7-{[(2s,3r,4s,5r)-5-hydroxy-3,4-dimethoxyoxan-2-yl]oxy}-1-[(2r,3e,5r)-7-hydroxy-5-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,3,3b,5-tetrol
(1r,2r,3r,3as,3bs,5r,7s,9ar,9br,11ar)-7-{[(2s,3r,4s,5r)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy}-1-[(2r,3e,5r,6s)-7-hydroxy-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,3,3b,5-tetrol
(10'e,14'e,16'e)-21',24'-dihydroxy-5,6,11',13'-tetramethyl-2'-oxo-3',7'-dioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-22'-ylmethyl 3-methylbut-2-enoate
(2r,3ar,6s,8r,9ar,10as)-7'-[(2r)-3,3-dimethyloxirane-2-carbonyl]-2',10a-dihydroxy-1,1,6-trimethyl-3a-(methylamino)-3,4,6,7,8,9,9a,10-octahydrospiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl (2s)-2-(dimethylamino)-3-methylbutanoate
C35H52N4O6 (624.3886652000001)
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl octadecanoate
(4e,6e,8e,10e,12z,14e,16e,18e,20e,22e,24e,26e,28e)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-3,30-dione
(3r,6s,9r,12s,15r)-3-(1h-indol-3-ylmethyl)-9-isopropyl-6,12,15-tris(2-methylpropyl)-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol
C34H52N6O5 (624.3998981999999)
{[(12e,14e,20e,22e)-1,2,3,5,7-pentahydroxy-28-(n-hydroxycarbamimidamido)-19-oxooctacosa-12,14,20,22-tetraen-1-ylidene]amino}acetic acid
2-[(1-{1-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]ethyl}-1-hydroxy-9a,11a-dimethyl-2h,3h,3ah,3bh,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl)oxy]-4-methoxy-6-methyloxane-3,5-diol
(e,2z)-n-[(1e,3e,5r)-5-[(2r,4e,6e,10s,11s,12e,14s,18e)-11,14-dihydroxy-10-(c-hydroxycarbonimidoyloxy)-4-methyl-20-oxo-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]-3-methylhexa-1,3-dien-1-yl]-3,5-dimethylhexa-2,5-dienimidic acid
C36H52N2O7 (624.3774321999999)
n-[(2r,3s,4r)-4-[(9r,10r,14ar,16ar,17s,19s,20ar,20br)-17-(c-hydroxycarbonimidoyloxy)-19-methoxy-3,10,13,20b-tetramethyl-7-oxo-9h,10h,14ah,16ah,17h,18h,19h,20h,20ah-naphtho[2,1-h]oxacyclohexadecan-9-yl]-3-hydroxypentan-2-yl]ethanimidic acid
C36H52N2O7 (624.3774321999999)
7'-(3,3-dimethyloxirane-2-carbonyl)-2',10a-dihydroxy-1,1,6-trimethyl-3a-(methylamino)-3,4,6,7,8,9,9a,10-octahydrospiro[cyclopenta[b]quinolizine-2,3'-indol]-8-yl 2-(dimethylamino)-3-methylbutanoate
C35H52N4O6 (624.3886652000001)
(1r,2r,3r,3as,3bs,5r,7s,9ar,9br,11ar)-7-{[(2s,3r,4s,5r)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy}-1-[(2r,6s)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,3,3b,5-tetrol
(1r,6r,9s,10s,15s,18r,19s,26r,27s,30s)-6,9,15,18,23,27,32-heptamethyl-30-(prop-1-en-2-yl)-2,25-dioxaoctacyclo[24.5.3.0¹,²⁶.0³,²⁴.0⁵,²².0⁶,¹⁹.0⁹,¹⁸.0¹⁰,¹⁵]tetratriaconta-3,5(22),23,32-tetraene-13,21-dione
3-[(9e)-8-hydroxy-3-oxoheptadec-9-en-4,6-diyn-1-yl]-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1-benzopyran-2,4-dione
2-{[15-(5,6-dihydroxy-6-methylheptan-2-yl)-6,14-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-9-yl]oxy}oxane-3,4,5-triol
(2s,3r,4s,5r)-2-{[(1s,3r,6s,8r,9s,11s,12s,14s,15r,16r)-15-[(2r,5s)-5,6-dihydroxy-6-methylheptan-2-yl]-9,14-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}oxane-3,4,5-triol
n-{3-hydroxy-4-[17-(c-hydroxycarbonimidoyloxy)-19-methoxy-3,10,13,20b-tetramethyl-7-oxo-9h,10h,14ah,16ah,17h,18h,19h,20h,20ah-naphtho[2,1-h]oxacyclohexadecan-9-yl]pentan-2-yl}ethanimidic acid
C36H52N2O7 (624.3774321999999)
5,8,14,17-tetrahydroxy-6,9,15,18-tetraisopropyl-3,12-bis(2-methylpropyl)-1,10-dioxa-4,7,13,16-tetraazacyclooctadeca-4,7,13,16-tetraene-2,11-dione
C32H56N4O8 (624.4097936000001)
5-methyl-n-[1-oxo-1-({3,15,22-trihydroxy-5-methoxy-14,16-dimethyl-2-azabicyclo[18.3.1]tetracosa-1(24),2,6,8,10,16,20,22-octaen-13-yl}oxy)propan-2-yl]hexanimidic acid
C36H52N2O7 (624.3774321999999)